TDR Targets

Basic information

Technical information

TDR Targets ID: 1632578
Name: (2Z)-1-(4-methoxyphenyl)-2-[(3Z)-3-[2-(4-meth oxyphenyl)-2-oxoethylidene]-1,4-dihydropyrido [2,3-e]pyrazin-2-ylidene]ethanone
MW: 427.452 | Formula: C25H21N3O4
H donors: 2 H acceptors: 3 LogP: 3.78 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)/C=c/1\[nH]c2ncccc2[nH]\c1=C/C(=O)c1ccc(cc1)OC
InChi: 1S/C25H21N3O4/c1-31-18-9-5-16(6-10-18)23(29)14-21-22(28-25-20(27-21)4-3-13-26-25)15-24(30)17-7-11-19(32-2)12-8-17/h3-15,27H,1-2H3,(H,26,28)/b21-14-,22-15-
InChiKey: NRKQPLQZQGFDGM-HHQODBOJSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,4-dihydropyrido[2,3-e]pyrazin-2-ylidene]ethanone
(2Z)-1-(4-methoxyphenyl)-2-[(3Z)-3-[2-(4-methoxyphenyl)-2-oxo-ethylidene]-1,4-dihydropyrido[2,3-e]pyrazin-2-ylidene]ethanone
1-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)-2-oxo-ethylidene]-1,4-dihydropyrido[2,3-e]pyrazin-2-ylidene]ethanone
2-[3-[2-keto-2-(4-methoxyphenyl)ethylidene]-1,4-dihydropyrido[2,3-e]pyrazin-2-ylidene]-1-(4-methoxyphenyl)ethanone
(2Z)-2-[(3Z)-3-[2-keto-2-(4-methoxyphenyl)ethylidene]-1,4-dihydropyrido[2,3-e]pyrazin-2-ylidene]-1-(4-methoxyphenyl)ethanone
NCI60_041266
NSC720452

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0059	0.0093
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.072	0.1127
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0059	0.0093
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0059	0.0059
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.072	0.072
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0579	0.6392	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0579	0.6392	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0059	0.0093
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0059	0.0059
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0059	0.0093
Brugia malayi	PHD-finger family protein	0.0028	0.0243	0.038
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0059	0.0093
Schistosoma mansoni	hypothetical protein	0.0017	0.0124	0.0193
Brugia malayi	Pre-SET motif family protein	0.0033	0.0304	0.0476
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0059	0.0093
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0059	0.0093
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0059	0.0093
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0059	0.0093
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0579	0.6392	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0066	0.0675	0.0675
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0059	0.0093
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0059	0.0093
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.072	0.1127
Brugia malayi	ecdysteroid receptor	0.0011	0.0059	0.0093
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0304	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0059	0.0093
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0059	0.0093
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0579	0.6392	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0059	0.0093
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0059	0.0059
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0052	0.0516	0.0807
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.0579	0.6392	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0059	0.0093
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0522	0.5754	0.5754
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0304	0.0476
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0059	0.0093
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0059	0.0093
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0059	0.0093
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.072	0.1127
Brugia malayi	Bromodomain containing protein	0.0043	0.0409	0.064
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0019	0.0145	0.0145
Plasmodium vivax	SET domain protein, putative	0.0033	0.0304	0.5
Schistosoma mansoni	lysosomal protective protein precursor (cathepsin A) (carboxypeptidase	0.0057	0.0572	0.0895
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0145	0.0227
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0059	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0059	0.0059
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0059	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Schistosoma mansoni	bromodomain containing protein	0.007	0.0719	0.1125
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0059	0.0093
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0059	0.0093
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0145	0.0227
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0059	0.0093
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0059	0.0093
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0059	0.0059
Onchocerca volvulus		0.0033	0.0304	0.0387
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0019	0.0145	0.0227
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.0579	0.6392	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0059	0.0093
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.038	0.038
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0059	0.0093
Loa Loa (eye worm)	RNA binding protein	0.0071	0.072	0.1127
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0059	0.0093
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0059	0.0093
Loa Loa (eye worm)	bromodomain containing protein	0.002	0.0153	0.0239
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0059	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0059	0.0093
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0059	0.0093
Brugia malayi	RNA binding protein	0.0071	0.072	0.1127
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0059	0.0093
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0059	0.0093
Brugia malayi	steroid hormone receptor	0.0011	0.0059	0.0093
Brugia malayi	TAR-binding protein	0.0071	0.072	0.1127
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0052	0.0516	0.0516
Schistosoma mansoni	zinc finger protein	0.0017	0.0124	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0059	0.0093
Schistosoma mansoni	hypothetical protein	0.0023	0.019	0.0297
Trichomonas vaginalis	set domain proteins, putative	0.0264	0.2874	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0463	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0812	0.127
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0439	0.0687
Schistosoma mansoni	zinc finger protein	0.0022	0.0177	0.0276
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0579	0.6392	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0304	0.5
Brugia malayi	Bromodomain containing protein	0.0083	0.0865	0.1353
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0052	0.0516	0.0807
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0232	0.2517	0.3938
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Echinococcus granulosus	zinc finger protein	0.0022	0.0177	0.0276
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0066	0.0675	0.1056
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.0579	0.6392	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0059	0.0093
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0059	0.0093
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0059	0.0093
Echinococcus multilocularis	zinc finger protein	0.0022	0.0177	0.0177
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0059	0.0093
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0304	0.0304
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0214	0.0334
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.019	0.0297
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.072	0.1127
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.038	0.0594
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0059	0.0093
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0059	0.0093
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0059	0.0093
Brugia malayi	Pre-SET motif family protein	0.0232	0.2517	0.3938
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0059	0.0059
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0059	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0043	0.041	0.0641
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0059	0.0059
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0579	0.6392	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.072	0.1127
Brugia malayi	nuclear hormone receptor	0.0011	0.0059	0.0093
Onchocerca volvulus		0.0264	0.2874	0.4445
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0059	0.0093
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.072	0.1127
Echinococcus granulosus	histone lysine methyltransferase setb	0.0052	0.0516	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0579	0.6392	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0214	0.0214
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0059	0.0093
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0059	0.0059
Echinococcus granulosus	tar DNA binding protein	0.0071	0.072	0.1127
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0291	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0516	0.0807
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.072	0.1127
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.072	0.1127
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0059	0.0059
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0579	0.6392	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0214	0.0334
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0579	0.6392	1
Echinococcus granulosus	lysosomal protective protein	0.0579	0.6392	1
Echinococcus multilocularis	lysosomal protective protein	0.0579	0.6392	0.6392
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0059	0.0093
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0059	0.0093
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0579	0.6392	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0059	0.0093
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0059	0.0093
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0522	0.5754	0.9001

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.932	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.915	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.904	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.871	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.752	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.702	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.6	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.563	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.275	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.189	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2004463

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1632578